4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid

C7H13NO5S — CID 66249115

IUPAC4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NS(C)(=O)=O
InChIInChI=1S/C7H13NO5S/c1-7(6(9)10)4-13-3-5(7)8-14(2,11)12/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyFYQRTUWUIWPXJH-UHFFFAOYSA-N
MW223.25 g/mol
LogP-0.97
Rot. Bonds3

About 4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid

4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid (PubChem CID 66249115) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid
PubChem CID66249115
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NS(C)(=O)=O
InChIInChI=1S/C7H13NO5S/c1-7(6(9)10)4-13-3-5(7)8-14(2,11)12/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyFYQRTUWUIWPXJH-UHFFFAOYSA-N
XLogP-0.97
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid (CID 66249115) is 4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NS(C)(=O)=O.
What is the InChIKey of 4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid?
The InChIKey is FYQRTUWUIWPXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-7(6(9)10)4-13-3-5(7)8-14(2,11)12/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid?
4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66249115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).